Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | ESR1 | P03372 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.51 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18668799 | 0.95 | TSHR (0.56) | TSHRLMNACYP1A2CYP2C19ESR1 | |
| SCHEMBL17737151 | 0.88 | ALDH1A1 (0.68) | TSHRLMNACYP1A2CYP2C19ESR1 | |
| SCHEMBL13291812 | 0.86 | TDP1 (0.51) | TSHRLMNACYP1A2CYP2C19ESR1 | |
| SCHEMBL128506 | 0.85 | TDP1 (0.67) | TSHRLMNACYP1A2CYP2C19ESR1 | |
| SCHEMBL18133187 | 0.84 | RAB9A (0.51) | TSHRLMNACYP1A2CYP2C19ESR1 | |
| SCHEMBL13291815 | 0.84 | TDP1 (0.68) | TSHRLMNACYP1A2CYP2C19ESR1 | |
| SCHEMBL13291880 | 0.84 | ESR1 (0.63) | TSHRLMNACYP1A2CYP2C19ESR1 | |
| SCHEMBL27484346 | 0.83 | ESR1 (0.72) | TSHRLMNACYP1A2CYP2C19ESR1 | |
| SCHEMBL15315380 | 0.83 | ESR1 (0.72) | TSHRLMNACYP1A2CYP2C19ESR1 | |
| SCHEMBL12092865 | 0.83 | ALDH1A1 (0.71) | TSHRLMNACYP1A2CYP2C19ESR1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7745424-B2 | Alkane diol derivatives as therapeutic agents for the treatment of bone conditions | The Univeristy Court of the University of Aberdeen (GB) | 2010-06-29 | — | — | US | disclosed |
| US-7745424-B2 | Alkane diol derivatives as therapeutic agents for the treatment of bone conditions | The Univeristy Court of the University of Aberdeen (GB) | 2010-06-29 | — | — | US | disclosed |